USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 183 LYS NZ :NH3+ 177:sc= -3.55 (180deg=-3.7) USER MOD Single : A 193 THR OG1 : rot 43:sc= 0.117 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 TYR OH : rot 180:sc= 0 USER MOD Single : A 210 SER OG : rot 18:sc= 0.604 USER MOD Single : A 226 CYS SG : rot 180:sc= -2.09! USER MOD Single : A 229 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 MET CE :methyl -177:sc= 0 (180deg=-0.00945) USER MOD Single : A 242 LYS NZ :NH3+ -144:sc= -0.0792 (180deg=-0.95) USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 TYR OH : rot 120:sc= -0.684 USER MOD Single : A 245 HIS :FLIP no HD1:sc= -15.6! C(o=-20!,f=-16!) USER MOD Single : A 246 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 250 SER OG : rot 180:sc= 0 USER MOD Single : A 251 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 252 CYS SG : rot 180:sc= -7.5! USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -0.750 8.348 -4.892 1.00 0.00 N ATOM 2 CA LYS A 183 -0.538 7.123 -5.713 1.00 0.00 C ATOM 3 C LYS A 183 -0.947 5.928 -4.866 1.00 0.00 C ATOM 4 O LYS A 183 -1.033 6.026 -3.659 1.00 0.00 O ATOM 5 CB LYS A 183 0.956 7.128 -6.026 1.00 0.00 C ATOM 6 CG LYS A 183 1.519 5.695 -6.174 1.00 0.00 C ATOM 7 CD LYS A 183 1.962 5.505 -7.615 1.00 0.00 C ATOM 8 CE LYS A 183 3.471 5.731 -7.724 1.00 0.00 C ATOM 9 NZ LYS A 183 4.087 4.477 -7.213 1.00 0.00 N ATOM 0 HA LYS A 183 -1.118 7.082 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 183 1.132 7.684 -6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.492 7.648 -5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.359 5.545 -5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.760 4.959 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.710 4.500 -7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.432 6.203 -8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.767 5.925 -8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.784 6.593 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 5.121 4.536 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 3.834 4.349 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.737 3.668 -7.765 1.00 0.00 H new ATOM 23 N ILE A 184 -1.196 4.806 -5.462 1.00 0.00 N ATOM 24 CA ILE A 184 -1.584 3.644 -4.645 1.00 0.00 C ATOM 25 C ILE A 184 -0.788 2.404 -5.081 1.00 0.00 C ATOM 26 O ILE A 184 0.020 2.466 -5.986 1.00 0.00 O ATOM 27 CB ILE A 184 -3.079 3.451 -4.904 1.00 0.00 C ATOM 28 CG1 ILE A 184 -3.325 3.353 -6.412 1.00 0.00 C ATOM 29 CG2 ILE A 184 -3.854 4.643 -4.339 1.00 0.00 C ATOM 30 CD1 ILE A 184 -4.209 2.141 -6.710 1.00 0.00 C ATOM 0 H ILE A 184 -1.148 4.646 -6.468 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.378 3.795 -3.585 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.417 2.535 -4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -3.805 4.263 -6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.376 3.262 -6.940 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -4.919 4.505 -4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.678 4.715 -3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.517 5.559 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -4.383 2.073 -7.784 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -3.712 1.234 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.163 2.251 -6.194 1.00 0.00 H new ATOM 42 N PHE A 185 -1.011 1.278 -4.453 1.00 0.00 N ATOM 43 CA PHE A 185 -0.267 0.044 -4.849 1.00 0.00 C ATOM 44 C PHE A 185 -1.226 -1.146 -4.941 1.00 0.00 C ATOM 45 O PHE A 185 -1.994 -1.411 -4.039 1.00 0.00 O ATOM 46 CB PHE A 185 0.817 -0.156 -3.765 1.00 0.00 C ATOM 47 CG PHE A 185 0.892 -1.603 -3.294 1.00 0.00 C ATOM 48 CD1 PHE A 185 0.970 -2.646 -4.227 1.00 0.00 C ATOM 49 CD2 PHE A 185 0.891 -1.900 -1.921 1.00 0.00 C ATOM 50 CE1 PHE A 185 1.041 -3.974 -3.793 1.00 0.00 C ATOM 51 CE2 PHE A 185 0.966 -3.229 -1.490 1.00 0.00 C ATOM 52 CZ PHE A 185 1.039 -4.266 -2.425 1.00 0.00 C ATOM 0 H PHE A 185 -1.673 1.159 -3.686 1.00 0.00 H new ATOM 0 HA PHE A 185 0.193 0.132 -5.833 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.786 0.147 -4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.603 0.492 -2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 185 0.975 -2.424 -5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 185 0.832 -1.101 -1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 185 1.097 -4.775 -4.515 1.00 0.00 H new ATOM 0 HE2 PHE A 185 0.968 -3.454 -0.434 1.00 0.00 H new ATOM 0 HZ PHE A 185 1.094 -5.292 -2.091 1.00 0.00 H new ATOM 62 N VAL A 186 -1.172 -1.873 -6.027 1.00 0.00 N ATOM 63 CA VAL A 186 -2.067 -3.053 -6.173 1.00 0.00 C ATOM 64 C VAL A 186 -1.291 -4.341 -5.916 1.00 0.00 C ATOM 65 O VAL A 186 -0.312 -4.632 -6.585 1.00 0.00 O ATOM 66 CB VAL A 186 -2.560 -3.035 -7.618 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.502 -4.227 -7.845 1.00 0.00 C ATOM 68 CG2 VAL A 186 -3.310 -1.728 -7.892 1.00 0.00 C ATOM 0 H VAL A 186 -0.548 -1.699 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 186 -2.891 -3.012 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 186 -1.708 -3.107 -8.295 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -3.857 -4.219 -8.875 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -2.966 -5.156 -7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.353 -4.153 -7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -3.660 -1.719 -8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -4.164 -1.650 -7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -2.641 -0.883 -7.729 1.00 0.00 H new ATOM 78 N GLY A 187 -1.726 -5.120 -4.967 1.00 0.00 N ATOM 79 CA GLY A 187 -1.024 -6.400 -4.685 1.00 0.00 C ATOM 80 C GLY A 187 -1.745 -7.516 -5.422 1.00 0.00 C ATOM 81 O GLY A 187 -1.938 -8.605 -4.920 1.00 0.00 O ATOM 0 H GLY A 187 -2.535 -4.926 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 187 0.015 -6.342 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -1.013 -6.598 -3.613 1.00 0.00 H new ATOM 148 N THR A 193 -0.313 -6.646 -16.259 1.00 0.00 N ATOM 149 CA THR A 193 -0.577 -5.321 -15.613 1.00 0.00 C ATOM 150 C THR A 193 -1.726 -4.598 -16.334 1.00 0.00 C ATOM 151 O THR A 193 -1.517 -3.969 -17.352 1.00 0.00 O ATOM 152 CB THR A 193 0.737 -4.551 -15.771 1.00 0.00 C ATOM 153 OG1 THR A 193 1.102 -4.522 -17.144 1.00 0.00 O ATOM 154 CG2 THR A 193 1.836 -5.246 -14.964 1.00 0.00 C ATOM 0 HA THR A 193 -0.876 -5.413 -14.569 1.00 0.00 H new ATOM 0 HB THR A 193 0.610 -3.532 -15.406 1.00 0.00 H new ATOM 0 HG1 THR A 193 0.309 -4.336 -17.689 1.00 0.00 H new ATOM 0 HG21 THR A 193 2.772 -4.698 -15.076 1.00 0.00 H new ATOM 0 HG22 THR A 193 1.554 -5.271 -13.911 1.00 0.00 H new ATOM 0 HG23 THR A 193 1.966 -6.265 -15.329 1.00 0.00 H new ATOM 162 N PRO A 194 -2.915 -4.725 -15.785 1.00 0.00 N ATOM 163 CA PRO A 194 -4.118 -4.094 -16.388 1.00 0.00 C ATOM 164 C PRO A 194 -4.099 -2.570 -16.211 1.00 0.00 C ATOM 165 O PRO A 194 -4.382 -2.072 -15.148 1.00 0.00 O ATOM 166 CB PRO A 194 -5.258 -4.711 -15.569 1.00 0.00 C ATOM 167 CG PRO A 194 -4.653 -5.664 -14.518 1.00 0.00 C ATOM 168 CD PRO A 194 -3.127 -5.509 -14.544 1.00 0.00 C ATOM 0 HA PRO A 194 -4.198 -4.263 -17.462 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -5.838 -3.929 -15.080 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -5.942 -5.254 -16.222 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -5.041 -5.430 -13.527 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -4.933 -6.695 -14.735 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -2.755 -4.986 -13.663 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -2.620 -6.473 -14.579 1.00 0.00 H new ATOM 176 N GLU A 195 -3.782 -1.848 -17.259 1.00 0.00 N ATOM 177 CA GLU A 195 -3.753 -0.350 -17.222 1.00 0.00 C ATOM 178 C GLU A 195 -5.069 0.208 -17.700 1.00 0.00 C ATOM 179 O GLU A 195 -5.794 0.837 -16.974 1.00 0.00 O ATOM 180 CB GLU A 195 -2.698 0.129 -18.221 1.00 0.00 C ATOM 181 CG GLU A 195 -1.725 -0.997 -18.596 1.00 0.00 C ATOM 182 CD GLU A 195 -2.211 -1.691 -19.869 1.00 0.00 C ATOM 183 OE1 GLU A 195 -2.800 -1.017 -20.699 1.00 0.00 O ATOM 184 OE2 GLU A 195 -1.985 -2.882 -19.995 1.00 0.00 O ATOM 0 H GLU A 195 -3.535 -2.247 -18.165 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.545 -0.026 -16.202 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -3.189 0.501 -19.120 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -2.143 0.963 -17.793 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -0.725 -0.591 -18.750 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -1.655 -1.717 -17.781 1.00 0.00 H new ATOM 191 N GLU A 196 -5.363 0.014 -18.952 1.00 0.00 N ATOM 192 CA GLU A 196 -6.610 0.579 -19.488 1.00 0.00 C ATOM 193 C GLU A 196 -7.755 0.192 -18.566 1.00 0.00 C ATOM 194 O GLU A 196 -8.562 1.011 -18.172 1.00 0.00 O ATOM 195 CB GLU A 196 -6.781 -0.029 -20.880 1.00 0.00 C ATOM 196 CG GLU A 196 -7.930 0.673 -21.608 1.00 0.00 C ATOM 197 CD GLU A 196 -9.179 -0.209 -21.565 1.00 0.00 C ATOM 198 OE1 GLU A 196 -9.090 -1.303 -21.031 1.00 0.00 O ATOM 199 OE2 GLU A 196 -10.203 0.223 -22.065 1.00 0.00 O ATOM 0 H GLU A 196 -4.793 -0.509 -19.617 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.592 1.667 -19.551 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -5.858 0.076 -21.450 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -6.986 -1.096 -20.799 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -8.136 1.636 -21.140 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -7.650 0.874 -22.642 1.00 0.00 H new ATOM 206 N LYS A 197 -7.801 -1.049 -18.183 1.00 0.00 N ATOM 207 CA LYS A 197 -8.865 -1.485 -17.239 1.00 0.00 C ATOM 208 C LYS A 197 -8.587 -0.806 -15.900 1.00 0.00 C ATOM 209 O LYS A 197 -9.472 -0.549 -15.109 1.00 0.00 O ATOM 210 CB LYS A 197 -8.723 -3.005 -17.128 1.00 0.00 C ATOM 211 CG LYS A 197 -10.104 -3.654 -17.236 1.00 0.00 C ATOM 212 CD LYS A 197 -10.621 -3.525 -18.671 1.00 0.00 C ATOM 213 CE LYS A 197 -10.077 -4.681 -19.515 1.00 0.00 C ATOM 214 NZ LYS A 197 -11.264 -5.231 -20.226 1.00 0.00 N ATOM 0 H LYS A 197 -7.153 -1.778 -18.480 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.874 -1.225 -17.560 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -8.071 -3.379 -17.917 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -8.258 -3.269 -16.178 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -10.046 -4.705 -16.953 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -10.797 -3.175 -16.545 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -11.711 -3.536 -18.679 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -10.309 -2.571 -19.097 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -9.321 -4.334 -20.219 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -9.606 -5.439 -18.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -10.971 -6.028 -20.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -11.964 -5.560 -19.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -11.688 -4.489 -20.819 1.00 0.00 H new ATOM 228 N ILE A 198 -7.341 -0.488 -15.676 1.00 0.00 N ATOM 229 CA ILE A 198 -6.938 0.209 -14.430 1.00 0.00 C ATOM 230 C ILE A 198 -7.549 1.606 -14.434 1.00 0.00 C ATOM 231 O ILE A 198 -8.305 1.972 -13.563 1.00 0.00 O ATOM 232 CB ILE A 198 -5.391 0.245 -14.501 1.00 0.00 C ATOM 233 CG1 ILE A 198 -4.831 -0.409 -13.250 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.845 1.684 -14.557 1.00 0.00 C ATOM 235 CD1 ILE A 198 -3.312 -0.559 -13.382 1.00 0.00 C ATOM 0 H ILE A 198 -6.574 -0.687 -16.318 1.00 0.00 H new ATOM 0 HA ILE A 198 -7.275 -0.275 -13.513 1.00 0.00 H new ATOM 0 HB ILE A 198 -5.091 -0.278 -15.409 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -5.072 0.193 -12.374 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -5.291 -1.386 -13.101 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.756 1.658 -14.606 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -5.236 2.187 -15.441 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -5.155 2.226 -13.664 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -2.913 -1.029 -12.483 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -3.082 -1.179 -14.248 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -2.859 0.424 -13.509 1.00 0.00 H new ATOM 247 N ARG A 199 -7.227 2.381 -15.425 1.00 0.00 N ATOM 248 CA ARG A 199 -7.786 3.750 -15.504 1.00 0.00 C ATOM 249 C ARG A 199 -9.306 3.670 -15.398 1.00 0.00 C ATOM 250 O ARG A 199 -9.947 4.524 -14.820 1.00 0.00 O ATOM 251 CB ARG A 199 -7.357 4.273 -16.878 1.00 0.00 C ATOM 252 CG ARG A 199 -8.151 5.540 -17.204 1.00 0.00 C ATOM 253 CD ARG A 199 -7.946 5.916 -18.673 1.00 0.00 C ATOM 254 NE ARG A 199 -8.922 7.015 -18.919 1.00 0.00 N ATOM 255 CZ ARG A 199 -8.847 7.722 -20.014 1.00 0.00 C ATOM 256 NH1 ARG A 199 -8.463 7.160 -21.127 1.00 0.00 N ATOM 257 NH2 ARG A 199 -9.162 8.988 -19.996 1.00 0.00 N ATOM 0 H ARG A 199 -6.598 2.123 -16.186 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.437 4.405 -14.706 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -6.288 4.488 -16.881 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -7.532 3.514 -17.640 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -9.210 5.378 -17.005 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -7.828 6.359 -16.561 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -6.924 6.245 -18.859 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -8.132 5.066 -19.330 1.00 0.00 H new ATOM 0 HE ARG A 199 -9.649 7.215 -18.232 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -8.222 6.169 -21.141 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -8.404 7.712 -21.983 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -9.467 9.425 -19.126 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -9.103 9.540 -20.852 1.00 0.00 H new ATOM 271 N GLU A 200 -9.884 2.632 -15.937 1.00 0.00 N ATOM 272 CA GLU A 200 -11.364 2.475 -15.855 1.00 0.00 C ATOM 273 C GLU A 200 -11.792 2.416 -14.412 1.00 0.00 C ATOM 274 O GLU A 200 -12.776 3.013 -14.025 1.00 0.00 O ATOM 275 CB GLU A 200 -11.676 1.160 -16.573 1.00 0.00 C ATOM 276 CG GLU A 200 -11.479 1.339 -18.079 1.00 0.00 C ATOM 277 CD GLU A 200 -12.650 2.136 -18.656 1.00 0.00 C ATOM 278 OE1 GLU A 200 -13.658 1.526 -18.975 1.00 0.00 O ATOM 279 OE2 GLU A 200 -12.519 3.344 -18.771 1.00 0.00 O ATOM 0 H GLU A 200 -9.395 1.885 -16.431 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.896 3.310 -16.312 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -11.025 0.368 -16.202 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -12.701 0.854 -16.364 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -10.541 1.858 -18.275 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -11.413 0.366 -18.566 1.00 0.00 H new ATOM 286 N TYR A 201 -11.076 1.718 -13.598 1.00 0.00 N ATOM 287 CA TYR A 201 -11.494 1.675 -12.190 1.00 0.00 C ATOM 288 C TYR A 201 -10.803 2.791 -11.423 1.00 0.00 C ATOM 289 O TYR A 201 -11.419 3.755 -11.012 1.00 0.00 O ATOM 290 CB TYR A 201 -11.058 0.314 -11.657 1.00 0.00 C ATOM 291 CG TYR A 201 -12.024 -0.155 -10.596 1.00 0.00 C ATOM 292 CD1 TYR A 201 -13.403 0.004 -10.782 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.540 -0.752 -9.427 1.00 0.00 C ATOM 294 CE1 TYR A 201 -14.296 -0.433 -9.796 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.433 -1.189 -8.444 1.00 0.00 C ATOM 296 CZ TYR A 201 -13.811 -1.030 -8.626 1.00 0.00 C ATOM 297 OH TYR A 201 -14.690 -1.460 -7.654 1.00 0.00 O ATOM 0 H TYR A 201 -10.239 1.187 -13.838 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.570 1.810 -12.081 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -11.019 -0.410 -12.471 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -10.052 0.381 -11.242 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.777 0.463 -11.685 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.477 -0.875 -9.284 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -15.359 -0.310 -9.938 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -12.058 -1.650 -7.542 1.00 0.00 H new ATOM 0 HH TYR A 201 -14.188 -1.851 -6.909 1.00 0.00 H new ATOM 307 N PHE A 202 -9.519 2.667 -11.234 1.00 0.00 N ATOM 308 CA PHE A 202 -8.779 3.716 -10.500 1.00 0.00 C ATOM 309 C PHE A 202 -9.035 5.065 -11.160 1.00 0.00 C ATOM 310 O PHE A 202 -9.484 6.004 -10.528 1.00 0.00 O ATOM 311 CB PHE A 202 -7.302 3.322 -10.603 1.00 0.00 C ATOM 312 CG PHE A 202 -7.067 2.031 -9.861 1.00 0.00 C ATOM 313 CD1 PHE A 202 -7.222 1.977 -8.471 1.00 0.00 C ATOM 314 CD2 PHE A 202 -6.687 0.886 -10.568 1.00 0.00 C ATOM 315 CE1 PHE A 202 -6.996 0.775 -7.788 1.00 0.00 C ATOM 316 CE2 PHE A 202 -6.461 -0.317 -9.886 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.616 -0.372 -8.496 1.00 0.00 C ATOM 0 H PHE A 202 -8.955 1.882 -11.559 1.00 0.00 H new ATOM 0 HA PHE A 202 -9.088 3.801 -9.458 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -7.018 3.208 -11.649 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.675 4.111 -10.187 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -7.516 2.862 -7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -6.568 0.929 -11.641 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -7.115 0.733 -6.715 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -6.167 -1.201 -10.432 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.443 -1.299 -7.970 1.00 0.00 H new ATOM 327 N GLY A 203 -8.796 5.163 -12.437 1.00 0.00 N ATOM 328 CA GLY A 203 -9.073 6.443 -13.129 1.00 0.00 C ATOM 329 C GLY A 203 -10.536 6.789 -12.865 1.00 0.00 C ATOM 330 O GLY A 203 -10.947 7.930 -12.945 1.00 0.00 O ATOM 0 H GLY A 203 -8.424 4.417 -13.024 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -8.418 7.231 -12.758 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.886 6.351 -14.199 1.00 0.00 H new ATOM 334 N GLY A 204 -11.320 5.797 -12.528 1.00 0.00 N ATOM 335 CA GLY A 204 -12.755 6.034 -12.229 1.00 0.00 C ATOM 336 C GLY A 204 -12.870 6.799 -10.913 1.00 0.00 C ATOM 337 O GLY A 204 -13.600 7.766 -10.813 1.00 0.00 O ATOM 0 H GLY A 204 -11.020 4.826 -12.448 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -13.219 6.602 -13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.287 5.085 -12.160 1.00 0.00 H new ATOM 341 N PHE A 205 -12.151 6.391 -9.899 1.00 0.00 N ATOM 342 CA PHE A 205 -12.235 7.131 -8.606 1.00 0.00 C ATOM 343 C PHE A 205 -11.900 8.597 -8.855 1.00 0.00 C ATOM 344 O PHE A 205 -12.486 9.496 -8.283 1.00 0.00 O ATOM 345 CB PHE A 205 -11.183 6.490 -7.707 1.00 0.00 C ATOM 346 CG PHE A 205 -11.647 5.116 -7.308 1.00 0.00 C ATOM 347 CD1 PHE A 205 -11.377 4.023 -8.135 1.00 0.00 C ATOM 348 CD2 PHE A 205 -12.350 4.938 -6.114 1.00 0.00 C ATOM 349 CE1 PHE A 205 -11.814 2.745 -7.767 1.00 0.00 C ATOM 350 CE2 PHE A 205 -12.785 3.664 -5.742 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.518 2.564 -6.569 1.00 0.00 C ATOM 0 H PHE A 205 -11.519 5.590 -9.909 1.00 0.00 H new ATOM 0 HA PHE A 205 -13.226 7.084 -8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -10.229 6.427 -8.230 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -11.021 7.104 -6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.832 4.164 -9.057 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -12.557 5.786 -5.478 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.609 1.899 -8.406 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -13.327 3.526 -4.818 1.00 0.00 H new ATOM 0 HZ PHE A 205 -12.854 1.578 -6.283 1.00 0.00 H new ATOM 361 N GLY A 206 -10.957 8.830 -9.717 1.00 0.00 N ATOM 362 CA GLY A 206 -10.549 10.220 -10.048 1.00 0.00 C ATOM 363 C GLY A 206 -9.553 10.149 -11.199 1.00 0.00 C ATOM 364 O GLY A 206 -8.741 9.247 -11.260 1.00 0.00 O ATOM 0 H GLY A 206 -10.442 8.104 -10.215 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -11.417 10.816 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -10.098 10.703 -9.181 1.00 0.00 H new ATOM 368 N GLU A 207 -9.610 11.070 -12.122 1.00 0.00 N ATOM 369 CA GLU A 207 -8.658 11.012 -13.265 1.00 0.00 C ATOM 370 C GLU A 207 -7.263 10.651 -12.767 1.00 0.00 C ATOM 371 O GLU A 207 -6.846 11.056 -11.700 1.00 0.00 O ATOM 372 CB GLU A 207 -8.661 12.408 -13.880 1.00 0.00 C ATOM 373 CG GLU A 207 -8.473 13.454 -12.780 1.00 0.00 C ATOM 374 CD GLU A 207 -7.109 14.129 -12.945 1.00 0.00 C ATOM 375 OE1 GLU A 207 -6.587 14.103 -14.046 1.00 0.00 O ATOM 376 OE2 GLU A 207 -6.612 14.660 -11.965 1.00 0.00 O ATOM 0 H GLU A 207 -10.266 11.851 -12.134 1.00 0.00 H new ATOM 0 HA GLU A 207 -8.947 10.255 -13.994 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -7.863 12.493 -14.617 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.600 12.583 -14.405 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -9.268 14.198 -12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -8.541 12.983 -11.800 1.00 0.00 H new ATOM 383 N VAL A 208 -6.548 9.877 -13.523 1.00 0.00 N ATOM 384 CA VAL A 208 -5.193 9.466 -13.097 1.00 0.00 C ATOM 385 C VAL A 208 -4.129 10.260 -13.846 1.00 0.00 C ATOM 386 O VAL A 208 -4.314 10.655 -14.979 1.00 0.00 O ATOM 387 CB VAL A 208 -5.108 7.990 -13.487 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.643 7.547 -13.543 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.864 7.149 -12.459 1.00 0.00 C ATOM 0 H VAL A 208 -6.848 9.509 -14.426 1.00 0.00 H new ATOM 0 HA VAL A 208 -5.026 9.637 -12.034 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.556 7.851 -14.471 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.592 6.494 -13.821 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -3.110 8.145 -14.283 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -3.183 7.686 -12.565 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -5.804 6.096 -12.735 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -5.419 7.291 -11.474 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.909 7.459 -12.433 1.00 0.00 H new ATOM 399 N GLU A 209 -2.995 10.442 -13.240 1.00 0.00 N ATOM 400 CA GLU A 209 -1.897 11.147 -13.939 1.00 0.00 C ATOM 401 C GLU A 209 -1.138 10.075 -14.704 1.00 0.00 C ATOM 402 O GLU A 209 -1.094 10.068 -15.919 1.00 0.00 O ATOM 403 CB GLU A 209 -1.033 11.759 -12.834 1.00 0.00 C ATOM 404 CG GLU A 209 0.035 12.659 -13.458 1.00 0.00 C ATOM 405 CD GLU A 209 -0.626 13.638 -14.431 1.00 0.00 C ATOM 406 OE1 GLU A 209 -1.757 14.020 -14.180 1.00 0.00 O ATOM 407 OE2 GLU A 209 0.011 13.987 -15.412 1.00 0.00 O ATOM 0 H GLU A 209 -2.782 10.133 -12.292 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.219 11.927 -14.629 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -1.655 12.336 -12.150 1.00 0.00 H new ATOM 0 HB3 GLU A 209 -0.561 10.970 -12.248 1.00 0.00 H new ATOM 0 HG2 GLU A 209 0.565 13.207 -12.679 1.00 0.00 H new ATOM 0 HG3 GLU A 209 0.775 12.054 -13.981 1.00 0.00 H new ATOM 414 N SER A 210 -0.596 9.128 -13.995 1.00 0.00 N ATOM 415 CA SER A 210 0.096 8.005 -14.658 1.00 0.00 C ATOM 416 C SER A 210 0.031 6.811 -13.722 1.00 0.00 C ATOM 417 O SER A 210 -0.200 6.967 -12.543 1.00 0.00 O ATOM 418 CB SER A 210 1.535 8.466 -14.878 1.00 0.00 C ATOM 419 OG SER A 210 1.600 9.255 -16.059 1.00 0.00 O ATOM 0 H SER A 210 -0.606 9.088 -12.976 1.00 0.00 H new ATOM 0 HA SER A 210 -0.350 7.719 -15.611 1.00 0.00 H new ATOM 0 HB2 SER A 210 1.879 9.045 -14.021 1.00 0.00 H new ATOM 0 HB3 SER A 210 2.196 7.604 -14.966 1.00 0.00 H new ATOM 0 HG SER A 210 0.700 9.559 -16.299 1.00 0.00 H new ATOM 425 N ILE A 211 0.229 5.627 -14.203 1.00 0.00 N ATOM 426 CA ILE A 211 0.174 4.474 -13.273 1.00 0.00 C ATOM 427 C ILE A 211 1.577 3.952 -13.021 1.00 0.00 C ATOM 428 O ILE A 211 2.561 4.570 -13.374 1.00 0.00 O ATOM 429 CB ILE A 211 -0.657 3.402 -13.954 1.00 0.00 C ATOM 430 CG1 ILE A 211 -0.032 3.050 -15.304 1.00 0.00 C ATOM 431 CG2 ILE A 211 -2.083 3.907 -14.159 1.00 0.00 C ATOM 432 CD1 ILE A 211 -0.507 1.663 -15.741 1.00 0.00 C ATOM 0 H ILE A 211 0.423 5.406 -15.180 1.00 0.00 H new ATOM 0 HA ILE A 211 -0.261 4.761 -12.316 1.00 0.00 H new ATOM 0 HB ILE A 211 -0.682 2.511 -13.326 1.00 0.00 H new ATOM 0 HG12 ILE A 211 -0.311 3.793 -16.051 1.00 0.00 H new ATOM 0 HG13 ILE A 211 1.055 3.067 -15.229 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -2.676 3.134 -14.648 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.526 4.147 -13.193 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -2.066 4.801 -14.783 1.00 0.00 H new ATOM 0 HD11 ILE A 211 -0.061 1.412 -16.704 1.00 0.00 H new ATOM 0 HD12 ILE A 211 -0.206 0.924 -14.998 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -1.593 1.663 -15.833 1.00 0.00 H new ATOM 444 N GLU A 212 1.673 2.811 -12.418 1.00 0.00 N ATOM 445 CA GLU A 212 3.010 2.231 -12.145 1.00 0.00 C ATOM 446 C GLU A 212 2.917 0.709 -12.125 1.00 0.00 C ATOM 447 O GLU A 212 2.060 0.140 -11.488 1.00 0.00 O ATOM 448 CB GLU A 212 3.401 2.770 -10.773 1.00 0.00 C ATOM 449 CG GLU A 212 4.587 1.965 -10.232 1.00 0.00 C ATOM 450 CD GLU A 212 5.372 2.820 -9.236 1.00 0.00 C ATOM 451 OE1 GLU A 212 5.747 3.923 -9.598 1.00 0.00 O ATOM 452 OE2 GLU A 212 5.585 2.357 -8.127 1.00 0.00 O ATOM 0 H GLU A 212 0.882 2.251 -12.100 1.00 0.00 H new ATOM 0 HA GLU A 212 3.746 2.495 -12.904 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.666 3.825 -10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.556 2.700 -10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 212 4.232 1.056 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.235 1.656 -11.052 1.00 0.00 H new ATOM 459 N LEU A 213 3.786 0.040 -12.816 1.00 0.00 N ATOM 460 CA LEU A 213 3.727 -1.443 -12.817 1.00 0.00 C ATOM 461 C LEU A 213 4.806 -1.993 -11.906 1.00 0.00 C ATOM 462 O LEU A 213 5.558 -1.235 -11.327 1.00 0.00 O ATOM 463 CB LEU A 213 3.958 -1.842 -14.265 1.00 0.00 C ATOM 464 CG LEU A 213 2.792 -1.338 -15.125 1.00 0.00 C ATOM 465 CD1 LEU A 213 2.746 -2.123 -16.436 1.00 0.00 C ATOM 466 CD2 LEU A 213 1.467 -1.534 -14.371 1.00 0.00 C ATOM 0 H LEU A 213 4.532 0.451 -13.378 1.00 0.00 H new ATOM 0 HA LEU A 213 2.779 -1.835 -12.449 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.897 -1.422 -14.624 1.00 0.00 H new ATOM 0 HB3 LEU A 213 4.042 -2.926 -14.346 1.00 0.00 H new ATOM 0 HG LEU A 213 2.936 -0.279 -15.337 1.00 0.00 H new ATOM 0 HD11 LEU A 213 1.917 -1.764 -17.046 1.00 0.00 H new ATOM 0 HD12 LEU A 213 3.682 -1.983 -16.977 1.00 0.00 H new ATOM 0 HD13 LEU A 213 2.606 -3.182 -16.221 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.642 -1.175 -14.986 1.00 0.00 H new ATOM 0 HD22 LEU A 213 1.324 -2.593 -14.155 1.00 0.00 H new ATOM 0 HD23 LEU A 213 1.494 -0.974 -13.436 1.00 0.00 H new ATOM 478 N PRO A 214 4.847 -3.290 -11.765 1.00 0.00 N ATOM 479 CA PRO A 214 5.835 -3.875 -10.869 1.00 0.00 C ATOM 480 C PRO A 214 7.254 -3.681 -11.413 1.00 0.00 C ATOM 481 O PRO A 214 7.445 -3.317 -12.556 1.00 0.00 O ATOM 482 CB PRO A 214 5.429 -5.354 -10.823 1.00 0.00 C ATOM 483 CG PRO A 214 4.184 -5.537 -11.711 1.00 0.00 C ATOM 484 CD PRO A 214 3.937 -4.224 -12.463 1.00 0.00 C ATOM 0 HA PRO A 214 5.853 -3.417 -9.880 1.00 0.00 H new ATOM 0 HB2 PRO A 214 6.245 -5.984 -11.177 1.00 0.00 H new ATOM 0 HB3 PRO A 214 5.214 -5.658 -9.799 1.00 0.00 H new ATOM 0 HG2 PRO A 214 4.336 -6.356 -12.415 1.00 0.00 H new ATOM 0 HG3 PRO A 214 3.317 -5.796 -11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 214 4.176 -4.310 -13.523 1.00 0.00 H new ATOM 0 HD3 PRO A 214 2.897 -3.906 -12.396 1.00 0.00 H new ATOM 662 N PHE A 225 4.350 -6.266 -7.449 1.00 0.00 N ATOM 663 CA PHE A 225 3.021 -5.567 -7.451 1.00 0.00 C ATOM 664 C PHE A 225 3.007 -4.431 -8.471 1.00 0.00 C ATOM 665 O PHE A 225 4.002 -4.118 -9.081 1.00 0.00 O ATOM 666 CB PHE A 225 2.824 -4.992 -6.040 1.00 0.00 C ATOM 667 CG PHE A 225 4.141 -4.527 -5.461 1.00 0.00 C ATOM 668 CD1 PHE A 225 4.997 -3.725 -6.224 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.509 -4.905 -4.163 1.00 0.00 C ATOM 670 CE1 PHE A 225 6.218 -3.298 -5.691 1.00 0.00 C ATOM 671 CE2 PHE A 225 5.731 -4.479 -3.630 1.00 0.00 C ATOM 672 CZ PHE A 225 6.586 -3.675 -4.395 1.00 0.00 C ATOM 0 HA PHE A 225 2.225 -6.262 -7.719 1.00 0.00 H new ATOM 0 HB2 PHE A 225 2.123 -4.158 -6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 225 2.384 -5.750 -5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 225 4.715 -3.435 -7.225 1.00 0.00 H new ATOM 0 HD2 PHE A 225 3.850 -5.525 -3.574 1.00 0.00 H new ATOM 0 HE1 PHE A 225 6.877 -2.677 -6.280 1.00 0.00 H new ATOM 0 HE2 PHE A 225 6.015 -4.770 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 225 7.529 -3.346 -3.984 1.00 0.00 H new ATOM 682 N CYS A 226 1.880 -3.806 -8.650 1.00 0.00 N ATOM 683 CA CYS A 226 1.797 -2.680 -9.633 1.00 0.00 C ATOM 684 C CYS A 226 1.192 -1.440 -8.947 1.00 0.00 C ATOM 685 O CYS A 226 0.070 -1.479 -8.486 1.00 0.00 O ATOM 686 CB CYS A 226 0.850 -3.160 -10.751 1.00 0.00 C ATOM 687 SG CYS A 226 -0.441 -4.256 -10.096 1.00 0.00 S ATOM 0 H CYS A 226 1.011 -4.021 -8.162 1.00 0.00 H new ATOM 0 HA CYS A 226 2.780 -2.413 -10.022 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.388 -2.299 -11.234 1.00 0.00 H new ATOM 0 HB3 CYS A 226 1.423 -3.685 -11.515 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.219 -4.637 -11.065 1.00 0.00 H new ATOM 693 N PHE A 227 1.899 -0.339 -8.885 1.00 0.00 N ATOM 694 CA PHE A 227 1.304 0.872 -8.235 1.00 0.00 C ATOM 695 C PHE A 227 0.597 1.735 -9.278 1.00 0.00 C ATOM 696 O PHE A 227 0.412 1.345 -10.412 1.00 0.00 O ATOM 697 CB PHE A 227 2.464 1.679 -7.627 1.00 0.00 C ATOM 698 CG PHE A 227 2.997 1.033 -6.366 1.00 0.00 C ATOM 699 CD1 PHE A 227 3.255 -0.347 -6.310 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.257 1.837 -5.250 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.774 -0.911 -5.134 1.00 0.00 C ATOM 702 CE2 PHE A 227 3.770 1.270 -4.077 1.00 0.00 C ATOM 703 CZ PHE A 227 4.030 -0.103 -4.020 1.00 0.00 C ATOM 0 H PHE A 227 2.845 -0.225 -9.249 1.00 0.00 H new ATOM 0 HA PHE A 227 0.580 0.576 -7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 227 3.268 1.767 -8.358 1.00 0.00 H new ATOM 0 HB3 PHE A 227 2.125 2.690 -7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 227 3.055 -0.971 -7.168 1.00 0.00 H new ATOM 0 HD2 PHE A 227 3.061 2.898 -5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 227 3.976 -1.971 -5.089 1.00 0.00 H new ATOM 0 HE2 PHE A 227 3.965 1.893 -3.216 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.428 -0.540 -3.116 1.00 0.00 H new ATOM 713 N ILE A 228 0.224 2.916 -8.890 1.00 0.00 N ATOM 714 CA ILE A 228 -0.454 3.860 -9.821 1.00 0.00 C ATOM 715 C ILE A 228 -0.396 5.253 -9.187 1.00 0.00 C ATOM 716 O ILE A 228 -0.667 5.399 -8.013 1.00 0.00 O ATOM 717 CB ILE A 228 -1.904 3.380 -9.905 1.00 0.00 C ATOM 718 CG1 ILE A 228 -1.974 2.150 -10.822 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.780 4.513 -10.458 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.355 2.042 -11.475 1.00 0.00 C ATOM 0 H ILE A 228 0.362 3.278 -7.946 1.00 0.00 H new ATOM 0 HA ILE A 228 0.003 3.898 -10.810 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.268 3.105 -8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.206 2.220 -11.592 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -1.767 1.248 -10.246 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.815 4.176 -10.520 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.719 5.377 -9.796 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.429 4.792 -11.452 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.384 1.164 -12.121 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.117 1.949 -10.701 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.548 2.936 -12.068 1.00 0.00 H new ATOM 732 N THR A 229 -0.046 6.285 -9.906 1.00 0.00 N ATOM 733 CA THR A 229 0.005 7.617 -9.244 1.00 0.00 C ATOM 734 C THR A 229 -1.125 8.489 -9.753 1.00 0.00 C ATOM 735 O THR A 229 -1.473 8.468 -10.917 1.00 0.00 O ATOM 736 CB THR A 229 1.374 8.211 -9.589 1.00 0.00 C ATOM 737 OG1 THR A 229 1.652 9.289 -8.705 1.00 0.00 O ATOM 738 CG2 THR A 229 1.380 8.721 -11.029 1.00 0.00 C ATOM 0 H THR A 229 0.200 6.266 -10.896 1.00 0.00 H new ATOM 0 HA THR A 229 -0.117 7.544 -8.163 1.00 0.00 H new ATOM 0 HB THR A 229 2.136 7.438 -9.484 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.528 9.671 -8.921 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.358 9.141 -11.262 1.00 0.00 H new ATOM 0 HG22 THR A 229 1.168 7.895 -11.708 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.618 9.491 -11.145 1.00 0.00 H new ATOM 746 N PHE A 230 -1.703 9.249 -8.884 1.00 0.00 N ATOM 747 CA PHE A 230 -2.832 10.125 -9.322 1.00 0.00 C ATOM 748 C PHE A 230 -2.348 11.558 -9.587 1.00 0.00 C ATOM 749 O PHE A 230 -1.300 11.767 -10.165 1.00 0.00 O ATOM 750 CB PHE A 230 -3.867 10.071 -8.195 1.00 0.00 C ATOM 751 CG PHE A 230 -4.469 8.681 -8.108 1.00 0.00 C ATOM 752 CD1 PHE A 230 -4.553 7.865 -9.248 1.00 0.00 C ATOM 753 CD2 PHE A 230 -4.952 8.209 -6.881 1.00 0.00 C ATOM 754 CE1 PHE A 230 -5.119 6.588 -9.157 1.00 0.00 C ATOM 755 CE2 PHE A 230 -5.518 6.930 -6.794 1.00 0.00 C ATOM 756 CZ PHE A 230 -5.600 6.121 -7.930 1.00 0.00 C ATOM 0 H PHE A 230 -1.454 9.310 -7.897 1.00 0.00 H new ATOM 0 HA PHE A 230 -3.265 9.783 -10.262 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.398 10.333 -7.247 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.652 10.805 -8.376 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -4.180 8.223 -10.196 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -4.888 8.832 -6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -5.184 5.963 -10.035 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -5.891 6.569 -5.847 1.00 0.00 H new ATOM 0 HZ PHE A 230 -6.035 5.135 -7.860 1.00 0.00 H new ATOM 766 N LYS A 231 -3.117 12.547 -9.210 1.00 0.00 N ATOM 767 CA LYS A 231 -2.710 13.953 -9.489 1.00 0.00 C ATOM 768 C LYS A 231 -2.727 14.804 -8.214 1.00 0.00 C ATOM 769 O LYS A 231 -1.744 15.430 -7.866 1.00 0.00 O ATOM 770 CB LYS A 231 -3.771 14.439 -10.473 1.00 0.00 C ATOM 771 CG LYS A 231 -3.659 15.954 -10.655 1.00 0.00 C ATOM 772 CD LYS A 231 -4.762 16.439 -11.601 1.00 0.00 C ATOM 773 CE LYS A 231 -4.478 17.884 -12.020 1.00 0.00 C ATOM 774 NZ LYS A 231 -5.482 18.181 -13.078 1.00 0.00 N ATOM 0 H LYS A 231 -4.007 12.440 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 231 -1.694 14.026 -9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -3.645 13.939 -11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -4.765 14.181 -10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.747 16.454 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -2.680 16.211 -11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.809 15.797 -12.481 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -5.732 16.376 -11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -4.579 18.567 -11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -3.462 17.993 -12.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.352 19.156 -13.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -5.357 17.519 -13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -6.440 18.076 -12.687 1.00 0.00 H new ATOM 788 N GLU A 232 -3.830 14.844 -7.519 1.00 0.00 N ATOM 789 CA GLU A 232 -3.895 15.669 -6.276 1.00 0.00 C ATOM 790 C GLU A 232 -3.653 14.797 -5.041 1.00 0.00 C ATOM 791 O GLU A 232 -2.645 14.919 -4.376 1.00 0.00 O ATOM 792 CB GLU A 232 -5.312 16.246 -6.255 1.00 0.00 C ATOM 793 CG GLU A 232 -5.680 16.755 -7.649 1.00 0.00 C ATOM 794 CD GLU A 232 -6.490 18.046 -7.524 1.00 0.00 C ATOM 795 OE1 GLU A 232 -6.896 18.361 -6.418 1.00 0.00 O ATOM 796 OE2 GLU A 232 -6.691 18.698 -8.536 1.00 0.00 O ATOM 0 H GLU A 232 -4.687 14.344 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 232 -3.135 16.450 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -6.022 15.482 -5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -5.373 17.059 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -4.777 16.935 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -6.258 16.001 -8.182 1.00 0.00 H new ATOM 803 N GLU A 233 -4.575 13.920 -4.736 1.00 0.00 N ATOM 804 CA GLU A 233 -4.431 13.023 -3.542 1.00 0.00 C ATOM 805 C GLU A 233 -5.810 12.440 -3.184 1.00 0.00 C ATOM 806 O GLU A 233 -5.935 11.359 -2.629 1.00 0.00 O ATOM 807 CB GLU A 233 -3.939 13.922 -2.399 1.00 0.00 C ATOM 808 CG GLU A 233 -4.681 15.264 -2.424 1.00 0.00 C ATOM 809 CD GLU A 233 -3.669 16.405 -2.548 1.00 0.00 C ATOM 810 OE1 GLU A 233 -3.009 16.695 -1.564 1.00 0.00 O ATOM 811 OE2 GLU A 233 -3.571 16.968 -3.625 1.00 0.00 O ATOM 0 H GLU A 233 -5.434 13.783 -5.269 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.743 12.198 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.101 13.427 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -2.866 14.089 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -5.379 15.290 -3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -5.270 15.383 -1.514 1.00 0.00 H new ATOM 818 N GLU A 234 -6.847 13.174 -3.499 1.00 0.00 N ATOM 819 CA GLU A 234 -8.239 12.726 -3.194 1.00 0.00 C ATOM 820 C GLU A 234 -8.575 11.351 -3.806 1.00 0.00 C ATOM 821 O GLU A 234 -9.194 10.536 -3.146 1.00 0.00 O ATOM 822 CB GLU A 234 -9.136 13.807 -3.801 1.00 0.00 C ATOM 823 CG GLU A 234 -9.856 14.559 -2.680 1.00 0.00 C ATOM 824 CD GLU A 234 -10.784 13.599 -1.935 1.00 0.00 C ATOM 825 OE1 GLU A 234 -10.736 12.415 -2.226 1.00 0.00 O ATOM 826 OE2 GLU A 234 -11.526 14.063 -1.085 1.00 0.00 O ATOM 0 H GLU A 234 -6.786 14.080 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.377 12.603 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -8.539 14.500 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -9.863 13.355 -4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -9.129 14.988 -1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -10.430 15.388 -3.094 1.00 0.00 H new ATOM 833 N PRO A 235 -8.194 11.120 -5.046 1.00 0.00 N ATOM 834 CA PRO A 235 -8.522 9.824 -5.680 1.00 0.00 C ATOM 835 C PRO A 235 -8.059 8.660 -4.800 1.00 0.00 C ATOM 836 O PRO A 235 -8.700 7.629 -4.747 1.00 0.00 O ATOM 837 CB PRO A 235 -7.784 9.898 -7.018 1.00 0.00 C ATOM 838 CG PRO A 235 -7.076 11.263 -7.113 1.00 0.00 C ATOM 839 CD PRO A 235 -7.425 12.089 -5.865 1.00 0.00 C ATOM 0 HA PRO A 235 -9.589 9.650 -5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -7.058 9.089 -7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -8.485 9.777 -7.844 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -5.997 11.125 -7.185 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -7.390 11.789 -8.014 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -6.532 12.440 -5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -8.016 12.970 -6.113 1.00 0.00 H new ATOM 847 N VAL A 236 -6.986 8.817 -4.069 1.00 0.00 N ATOM 848 CA VAL A 236 -6.562 7.705 -3.169 1.00 0.00 C ATOM 849 C VAL A 236 -7.452 7.723 -1.941 1.00 0.00 C ATOM 850 O VAL A 236 -7.786 6.703 -1.387 1.00 0.00 O ATOM 851 CB VAL A 236 -5.124 7.985 -2.750 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.765 7.069 -1.582 1.00 0.00 C ATOM 853 CG2 VAL A 236 -4.189 7.692 -3.909 1.00 0.00 C ATOM 0 H VAL A 236 -6.396 9.649 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 236 -6.637 6.737 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 236 -5.025 9.030 -2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.737 7.260 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.438 7.264 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.863 6.029 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -3.161 7.893 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -4.284 6.645 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -4.449 8.327 -4.756 1.00 0.00 H new ATOM 863 N LYS A 237 -7.846 8.887 -1.516 1.00 0.00 N ATOM 864 CA LYS A 237 -8.732 8.968 -0.322 1.00 0.00 C ATOM 865 C LYS A 237 -9.819 7.923 -0.460 1.00 0.00 C ATOM 866 O LYS A 237 -10.106 7.159 0.445 1.00 0.00 O ATOM 867 CB LYS A 237 -9.376 10.346 -0.380 1.00 0.00 C ATOM 868 CG LYS A 237 -9.299 11.011 0.995 1.00 0.00 C ATOM 869 CD LYS A 237 -10.476 10.541 1.852 1.00 0.00 C ATOM 870 CE LYS A 237 -10.389 11.185 3.238 1.00 0.00 C ATOM 871 NZ LYS A 237 -10.977 10.179 4.166 1.00 0.00 N ATOM 0 H LYS A 237 -7.596 9.781 -1.939 1.00 0.00 H new ATOM 0 HA LYS A 237 -8.187 8.807 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -8.869 10.963 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.416 10.259 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -8.357 10.758 1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -9.322 12.096 0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -11.418 10.809 1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -10.463 9.455 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -9.357 11.412 3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -10.941 12.124 3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -10.953 10.548 5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -11.962 9.988 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -10.427 9.298 4.117 1.00 0.00 H new ATOM 885 N LYS A 238 -10.424 7.889 -1.608 1.00 0.00 N ATOM 886 CA LYS A 238 -11.504 6.904 -1.836 1.00 0.00 C ATOM 887 C LYS A 238 -10.912 5.510 -1.944 1.00 0.00 C ATOM 888 O LYS A 238 -11.212 4.624 -1.169 1.00 0.00 O ATOM 889 CB LYS A 238 -12.147 7.281 -3.167 1.00 0.00 C ATOM 890 CG LYS A 238 -13.665 7.372 -2.998 1.00 0.00 C ATOM 891 CD LYS A 238 -14.236 8.366 -4.013 1.00 0.00 C ATOM 892 CE LYS A 238 -14.997 9.472 -3.277 1.00 0.00 C ATOM 893 NZ LYS A 238 -15.415 10.425 -4.344 1.00 0.00 N ATOM 0 H LYS A 238 -10.216 8.501 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 238 -12.226 6.909 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -11.752 8.235 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.900 6.538 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -14.117 6.390 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.910 7.690 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -13.430 8.798 -4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -14.902 7.852 -4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -15.860 9.071 -2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -14.365 9.961 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -15.943 11.213 -3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -14.572 10.795 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -16.021 9.933 -5.031 1.00 0.00 H new ATOM 907 N ILE A 239 -10.074 5.317 -2.916 1.00 0.00 N ATOM 908 CA ILE A 239 -9.455 3.983 -3.101 1.00 0.00 C ATOM 909 C ILE A 239 -8.988 3.445 -1.746 1.00 0.00 C ATOM 910 O ILE A 239 -9.507 2.472 -1.236 1.00 0.00 O ATOM 911 CB ILE A 239 -8.265 4.222 -4.030 1.00 0.00 C ATOM 912 CG1 ILE A 239 -8.770 4.427 -5.460 1.00 0.00 C ATOM 913 CG2 ILE A 239 -7.336 3.008 -3.992 1.00 0.00 C ATOM 914 CD1 ILE A 239 -9.488 3.162 -5.932 1.00 0.00 C ATOM 0 H ILE A 239 -9.790 6.027 -3.592 1.00 0.00 H new ATOM 0 HA ILE A 239 -10.146 3.251 -3.519 1.00 0.00 H new ATOM 0 HB ILE A 239 -7.721 5.108 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -9.448 5.279 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -7.935 4.653 -6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -6.487 3.178 -4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.977 2.856 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.881 2.123 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -9.848 3.307 -6.951 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -8.796 2.320 -5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -10.332 2.956 -5.274 1.00 0.00 H new ATOM 926 N MET A 240 -8.017 4.082 -1.155 1.00 0.00 N ATOM 927 CA MET A 240 -7.517 3.624 0.174 1.00 0.00 C ATOM 928 C MET A 240 -8.689 3.215 1.077 1.00 0.00 C ATOM 929 O MET A 240 -8.629 2.220 1.772 1.00 0.00 O ATOM 930 CB MET A 240 -6.792 4.836 0.758 1.00 0.00 C ATOM 931 CG MET A 240 -5.684 4.365 1.703 1.00 0.00 C ATOM 932 SD MET A 240 -6.404 3.934 3.306 1.00 0.00 S ATOM 933 CE MET A 240 -5.845 2.214 3.350 1.00 0.00 C ATOM 0 H MET A 240 -7.546 4.903 -1.535 1.00 0.00 H new ATOM 0 HA MET A 240 -6.866 2.754 0.091 1.00 0.00 H new ATOM 0 HB2 MET A 240 -6.368 5.440 -0.044 1.00 0.00 H new ATOM 0 HB3 MET A 240 -7.497 5.470 1.295 1.00 0.00 H new ATOM 0 HG2 MET A 240 -5.171 3.502 1.278 1.00 0.00 H new ATOM 0 HG3 MET A 240 -4.938 5.150 1.826 1.00 0.00 H new ATOM 0 HE1 MET A 240 -6.230 1.729 4.247 1.00 0.00 H new ATOM 0 HE2 MET A 240 -6.213 1.689 2.468 1.00 0.00 H new ATOM 0 HE3 MET A 240 -4.755 2.186 3.361 1.00 0.00 H new ATOM 943 N GLU A 241 -9.753 3.977 1.078 1.00 0.00 N ATOM 944 CA GLU A 241 -10.921 3.624 1.943 1.00 0.00 C ATOM 945 C GLU A 241 -11.444 2.224 1.599 1.00 0.00 C ATOM 946 O GLU A 241 -12.210 1.639 2.338 1.00 0.00 O ATOM 947 CB GLU A 241 -11.980 4.682 1.635 1.00 0.00 C ATOM 948 CG GLU A 241 -12.543 5.240 2.944 1.00 0.00 C ATOM 949 CD GLU A 241 -13.547 4.248 3.536 1.00 0.00 C ATOM 950 OE1 GLU A 241 -14.028 3.408 2.795 1.00 0.00 O ATOM 951 OE2 GLU A 241 -13.818 4.345 4.722 1.00 0.00 O ATOM 0 H GLU A 241 -9.864 4.824 0.521 1.00 0.00 H new ATOM 0 HA GLU A 241 -10.655 3.608 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -11.544 5.486 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -12.782 4.246 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -11.734 5.420 3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -13.028 6.199 2.763 1.00 0.00 H new ATOM 958 N LYS A 242 -11.031 1.683 0.487 1.00 0.00 N ATOM 959 CA LYS A 242 -11.495 0.319 0.095 1.00 0.00 C ATOM 960 C LYS A 242 -10.293 -0.523 -0.330 1.00 0.00 C ATOM 961 O LYS A 242 -10.298 -1.155 -1.366 1.00 0.00 O ATOM 962 CB LYS A 242 -12.450 0.539 -1.080 1.00 0.00 C ATOM 963 CG LYS A 242 -13.789 -0.141 -0.785 1.00 0.00 C ATOM 964 CD LYS A 242 -14.587 0.712 0.204 1.00 0.00 C ATOM 965 CE LYS A 242 -15.006 -0.149 1.399 1.00 0.00 C ATOM 966 NZ LYS A 242 -15.847 -1.236 0.821 1.00 0.00 N ATOM 0 H LYS A 242 -10.390 2.127 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.988 -0.208 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -12.601 1.606 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -12.018 0.133 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -14.354 -0.271 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -13.621 -1.135 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -13.984 1.555 0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -15.468 1.127 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -14.137 -0.556 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -15.565 0.436 2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -16.616 -1.468 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -16.251 -0.919 -0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -15.261 -2.080 0.661 1.00 0.00 H new ATOM 980 N LYS A 243 -9.267 -0.507 0.475 1.00 0.00 N ATOM 981 CA LYS A 243 -8.010 -1.271 0.181 1.00 0.00 C ATOM 982 C LYS A 243 -8.254 -2.506 -0.700 1.00 0.00 C ATOM 983 O LYS A 243 -7.431 -2.851 -1.523 1.00 0.00 O ATOM 984 CB LYS A 243 -7.495 -1.703 1.553 1.00 0.00 C ATOM 985 CG LYS A 243 -6.066 -2.233 1.419 1.00 0.00 C ATOM 986 CD LYS A 243 -5.937 -3.555 2.180 1.00 0.00 C ATOM 987 CE LYS A 243 -5.775 -3.273 3.675 1.00 0.00 C ATOM 988 NZ LYS A 243 -4.532 -3.993 4.070 1.00 0.00 N ATOM 0 H LYS A 243 -9.242 0.017 1.350 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.305 -0.654 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.518 -0.860 2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -8.143 -2.474 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -5.819 -2.381 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -5.358 -1.504 1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -6.819 -4.172 2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -5.079 -4.117 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -5.690 -2.204 3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -6.635 -3.632 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -4.354 -3.847 5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -4.645 -5.009 3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -3.729 -3.626 3.521 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.352 -3.191 -0.533 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.586 -4.404 -1.371 1.00 0.00 C ATOM 1004 C TYR A 244 -10.754 -4.160 -2.337 1.00 0.00 C ATOM 1005 O TYR A 244 -11.906 -4.308 -1.980 1.00 0.00 O ATOM 1006 CB TYR A 244 -9.935 -5.507 -0.368 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.410 -6.838 -0.864 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -8.073 -6.945 -1.266 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.242 -7.966 -0.898 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -7.568 -8.174 -1.704 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -9.735 -9.196 -1.332 1.00 0.00 C ATOM 1012 CZ TYR A 244 -8.399 -9.300 -1.736 1.00 0.00 C ATOM 1013 OH TYR A 244 -7.900 -10.513 -2.164 1.00 0.00 O ATOM 0 H TYR A 244 -10.088 -2.969 0.137 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.721 -4.665 -1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -9.503 -5.276 0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -11.015 -5.560 -0.233 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.431 -6.077 -1.238 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.274 -7.886 -0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -6.538 -8.254 -2.017 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -10.375 -10.066 -1.355 1.00 0.00 H new ATOM 0 HH TYR A 244 -7.982 -11.173 -1.444 1.00 0.00 H new ATOM 1023 N HIS A 245 -10.468 -3.783 -3.558 1.00 0.00 N ATOM 1024 CA HIS A 245 -11.570 -3.529 -4.538 1.00 0.00 C ATOM 1025 C HIS A 245 -11.694 -4.696 -5.523 1.00 0.00 C ATOM 1026 O HIS A 245 -11.381 -5.827 -5.212 1.00 0.00 O ATOM 1027 CB HIS A 245 -11.177 -2.262 -5.305 1.00 0.00 C ATOM 1028 CG HIS A 245 -10.479 -1.276 -4.408 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -9.245 -1.288 -3.807 1.00 0.00 N flip ATOM 1030 CD2 HIS A 245 -11.049 -0.058 -4.074 1.00 0.00 C flip ATOM 1031 CE1 HIS A 245 -9.048 -0.097 -3.116 1.00 0.00 C flip ATOM 1032 NE2 HIS A 245 -10.166 0.607 -3.311 1.00 0.00 N flip ATOM 0 H HIS A 245 -9.524 -3.640 -3.918 1.00 0.00 H new ATOM 0 HA HIS A 245 -12.526 -3.419 -4.026 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -10.524 -2.526 -6.137 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -12.068 -1.801 -5.732 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -12.026 0.293 -4.373 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -8.179 0.195 -2.545 1.00 0.00 H new ATOM 0 HE2 HIS A 245 -10.330 1.538 -2.927 1.00 0.00 H new ATOM 1040 N ASN A 246 -12.143 -4.414 -6.720 1.00 0.00 N ATOM 1041 CA ASN A 246 -12.287 -5.487 -7.748 1.00 0.00 C ATOM 1042 C ASN A 246 -11.619 -5.042 -9.055 1.00 0.00 C ATOM 1043 O ASN A 246 -11.690 -3.889 -9.432 1.00 0.00 O ATOM 1044 CB ASN A 246 -13.794 -5.653 -7.941 1.00 0.00 C ATOM 1045 CG ASN A 246 -14.188 -7.099 -7.630 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -14.363 -7.900 -8.526 1.00 0.00 O ATOM 1047 ND2 ASN A 246 -14.336 -7.468 -6.386 1.00 0.00 N ATOM 0 H ASN A 246 -12.417 -3.482 -7.030 1.00 0.00 H new ATOM 0 HA ASN A 246 -11.815 -6.422 -7.447 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -14.334 -4.968 -7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -14.071 -5.401 -8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -14.599 -8.429 -6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -14.189 -6.795 -5.634 1.00 0.00 H new ATOM 1054 N VAL A 247 -10.964 -5.938 -9.747 1.00 0.00 N ATOM 1055 CA VAL A 247 -10.294 -5.543 -11.020 1.00 0.00 C ATOM 1056 C VAL A 247 -10.243 -6.722 -11.997 1.00 0.00 C ATOM 1057 O VAL A 247 -9.639 -7.739 -11.723 1.00 0.00 O ATOM 1058 CB VAL A 247 -8.879 -5.129 -10.611 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -7.999 -5.022 -11.857 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -8.929 -3.771 -9.906 1.00 0.00 C ATOM 0 H VAL A 247 -10.865 -6.919 -9.487 1.00 0.00 H new ATOM 0 HA VAL A 247 -10.829 -4.740 -11.528 1.00 0.00 H new ATOM 0 HB VAL A 247 -8.463 -5.876 -9.935 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -6.991 -4.727 -11.566 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -7.963 -5.988 -12.361 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -8.415 -4.275 -12.533 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -7.921 -3.475 -9.614 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -9.345 -3.025 -10.583 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -9.557 -3.845 -9.018 1.00 0.00 H new ATOM 1070 N GLY A 248 -10.861 -6.583 -13.139 1.00 0.00 N ATOM 1071 CA GLY A 248 -10.844 -7.684 -14.147 1.00 0.00 C ATOM 1072 C GLY A 248 -10.988 -9.043 -13.458 1.00 0.00 C ATOM 1073 O GLY A 248 -10.032 -9.778 -13.309 1.00 0.00 O ATOM 0 H GLY A 248 -11.380 -5.750 -13.419 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -11.655 -7.544 -14.861 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -9.913 -7.653 -14.713 1.00 0.00 H new ATOM 1077 N LEU A 249 -12.176 -9.389 -13.045 1.00 0.00 N ATOM 1078 CA LEU A 249 -12.384 -10.707 -12.376 1.00 0.00 C ATOM 1079 C LEU A 249 -11.287 -10.972 -11.341 1.00 0.00 C ATOM 1080 O LEU A 249 -11.010 -12.103 -10.993 1.00 0.00 O ATOM 1081 CB LEU A 249 -12.313 -11.732 -13.506 1.00 0.00 C ATOM 1082 CG LEU A 249 -13.728 -12.052 -13.992 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -13.663 -12.644 -15.401 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -14.373 -13.064 -13.043 1.00 0.00 C ATOM 0 H LEU A 249 -13.014 -8.816 -13.142 1.00 0.00 H new ATOM 0 HA LEU A 249 -13.331 -10.748 -11.838 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -11.714 -11.342 -14.329 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -11.822 -12.641 -13.157 1.00 0.00 H new ATOM 0 HG LEU A 249 -14.322 -11.138 -14.010 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -14.671 -12.872 -15.747 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -13.201 -11.924 -16.077 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -13.070 -13.558 -15.384 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -15.381 -13.294 -13.387 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -13.778 -13.977 -13.026 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -14.419 -12.643 -12.039 1.00 0.00 H new ATOM 1096 N SER A 250 -10.669 -9.942 -10.836 1.00 0.00 N ATOM 1097 CA SER A 250 -9.601 -10.141 -9.815 1.00 0.00 C ATOM 1098 C SER A 250 -9.671 -9.013 -8.788 1.00 0.00 C ATOM 1099 O SER A 250 -9.594 -7.849 -9.127 1.00 0.00 O ATOM 1100 CB SER A 250 -8.283 -10.093 -10.589 1.00 0.00 C ATOM 1101 OG SER A 250 -8.100 -11.320 -11.283 1.00 0.00 O ATOM 0 H SER A 250 -10.856 -8.971 -11.085 1.00 0.00 H new ATOM 0 HA SER A 250 -9.705 -11.082 -9.275 1.00 0.00 H new ATOM 0 HB2 SER A 250 -8.292 -9.261 -11.294 1.00 0.00 H new ATOM 0 HB3 SER A 250 -7.452 -9.922 -9.905 1.00 0.00 H new ATOM 0 HG SER A 250 -7.257 -11.291 -11.781 1.00 0.00 H new ATOM 1107 N LYS A 251 -9.839 -9.340 -7.538 1.00 0.00 N ATOM 1108 CA LYS A 251 -9.938 -8.271 -6.510 1.00 0.00 C ATOM 1109 C LYS A 251 -8.552 -7.911 -5.957 1.00 0.00 C ATOM 1110 O LYS A 251 -8.336 -7.878 -4.761 1.00 0.00 O ATOM 1111 CB LYS A 251 -10.863 -8.844 -5.426 1.00 0.00 C ATOM 1112 CG LYS A 251 -10.063 -9.681 -4.425 1.00 0.00 C ATOM 1113 CD LYS A 251 -10.957 -10.770 -3.830 1.00 0.00 C ATOM 1114 CE LYS A 251 -10.098 -11.980 -3.448 1.00 0.00 C ATOM 1115 NZ LYS A 251 -10.981 -13.164 -3.644 1.00 0.00 N ATOM 0 H LYS A 251 -9.912 -10.295 -7.186 1.00 0.00 H new ATOM 0 HA LYS A 251 -10.336 -7.341 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -11.370 -8.031 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -11.636 -9.459 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -9.204 -10.133 -4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -9.674 -9.043 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -11.479 -10.389 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -11.720 -11.064 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -9.208 -12.045 -4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -9.757 -11.910 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -10.459 -14.030 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -11.816 -13.080 -3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -11.285 -13.210 -4.638 1.00 0.00 H new ATOM 1129 N CYS A 252 -7.620 -7.612 -6.827 1.00 0.00 N ATOM 1130 CA CYS A 252 -6.253 -7.221 -6.367 1.00 0.00 C ATOM 1131 C CYS A 252 -6.365 -6.347 -5.119 1.00 0.00 C ATOM 1132 O CYS A 252 -7.363 -5.686 -4.908 1.00 0.00 O ATOM 1133 CB CYS A 252 -5.669 -6.420 -7.531 1.00 0.00 C ATOM 1134 SG CYS A 252 -6.556 -4.851 -7.692 1.00 0.00 S ATOM 0 H CYS A 252 -7.748 -7.622 -7.839 1.00 0.00 H new ATOM 0 HA CYS A 252 -5.631 -8.078 -6.108 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -4.608 -6.234 -7.362 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -5.749 -6.992 -8.456 1.00 0.00 H new ATOM 0 HG CYS A 252 -6.057 -4.170 -8.681 1.00 0.00 H new ATOM 1140 N GLU A 253 -5.358 -6.315 -4.293 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.458 -5.447 -3.082 1.00 0.00 C ATOM 1142 C GLU A 253 -4.979 -4.058 -3.436 1.00 0.00 C ATOM 1143 O GLU A 253 -4.438 -3.834 -4.497 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.581 -6.048 -1.975 1.00 0.00 C ATOM 1145 CG GLU A 253 -3.411 -6.842 -2.559 1.00 0.00 C ATOM 1146 CD GLU A 253 -2.425 -7.196 -1.445 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -2.492 -6.568 -0.401 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -1.619 -8.086 -1.655 1.00 0.00 O ATOM 0 H GLU A 253 -4.488 -6.838 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.489 -5.389 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -4.199 -5.250 -1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -5.185 -6.699 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -3.777 -7.751 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -2.910 -6.257 -3.330 1.00 0.00 H new ATOM 1155 N ILE A 254 -5.199 -3.113 -2.579 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.776 -1.728 -2.918 1.00 0.00 C ATOM 1157 C ILE A 254 -4.240 -0.975 -1.695 1.00 0.00 C ATOM 1158 O ILE A 254 -4.978 -0.352 -0.957 1.00 0.00 O ATOM 1159 CB ILE A 254 -6.046 -1.065 -3.480 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -6.164 -1.378 -4.977 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -5.981 0.455 -3.299 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.770 -2.770 -5.178 1.00 0.00 C ATOM 0 H ILE A 254 -5.646 -3.231 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 254 -3.953 -1.718 -3.633 1.00 0.00 H new ATOM 0 HB ILE A 254 -6.910 -1.455 -2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -6.786 -0.628 -5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -5.181 -1.330 -5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -6.887 0.908 -3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -5.897 0.692 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -5.113 0.848 -3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -6.849 -2.982 -6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -6.131 -3.517 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.762 -2.804 -4.727 1.00 0.00 H new ATOM 1174 N LYS A 255 -2.949 -0.986 -1.517 1.00 0.00 N ATOM 1175 CA LYS A 255 -2.331 -0.232 -0.392 1.00 0.00 C ATOM 1176 C LYS A 255 -1.829 1.087 -0.965 1.00 0.00 C ATOM 1177 O LYS A 255 -0.914 1.099 -1.750 1.00 0.00 O ATOM 1178 CB LYS A 255 -1.148 -1.082 0.062 1.00 0.00 C ATOM 1179 CG LYS A 255 -1.385 -1.606 1.472 1.00 0.00 C ATOM 1180 CD LYS A 255 -0.778 -0.631 2.479 1.00 0.00 C ATOM 1181 CE LYS A 255 -1.872 0.298 3.013 1.00 0.00 C ATOM 1182 NZ LYS A 255 -1.747 0.231 4.495 1.00 0.00 N ATOM 0 H LYS A 255 -2.289 -1.490 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 255 -3.014 -0.036 0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -1.006 -1.917 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -0.234 -0.489 0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -2.453 -1.719 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -0.936 -2.592 1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -0.319 -1.180 3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 255 0.011 -0.047 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -1.735 1.317 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -2.860 -0.027 2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -2.465 0.843 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -1.889 -0.750 4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -0.799 0.553 4.778 1.00 0.00 H new ATOM 1196 N VAL A 256 -2.436 2.187 -0.631 1.00 0.00 N ATOM 1197 CA VAL A 256 -1.988 3.478 -1.230 1.00 0.00 C ATOM 1198 C VAL A 256 -0.458 3.562 -1.341 1.00 0.00 C ATOM 1199 O VAL A 256 0.270 2.790 -0.747 1.00 0.00 O ATOM 1200 CB VAL A 256 -2.519 4.572 -0.325 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -2.238 4.226 1.138 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -1.832 5.884 -0.695 1.00 0.00 C ATOM 0 H VAL A 256 -3.215 2.253 0.024 1.00 0.00 H new ATOM 0 HA VAL A 256 -2.367 3.576 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 256 -3.597 4.669 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -2.623 5.018 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -2.727 3.285 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -1.163 4.128 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -2.203 6.683 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -0.755 5.781 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -2.047 6.126 -1.736 1.00 0.00 H new ATOM 1212 N ALA A 257 0.024 4.499 -2.114 1.00 0.00 N ATOM 1213 CA ALA A 257 1.491 4.652 -2.300 1.00 0.00 C ATOM 1214 C ALA A 257 1.852 6.125 -2.518 1.00 0.00 C ATOM 1215 O ALA A 257 1.030 6.927 -2.926 1.00 0.00 O ATOM 1216 CB ALA A 257 1.798 3.846 -3.561 1.00 0.00 C ATOM 0 H ALA A 257 -0.545 5.171 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 257 2.057 4.312 -1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 257 2.865 3.902 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.513 2.805 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 257 1.236 4.255 -4.400 1.00 0.00 H new